2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine

C11H19N3 — CID 102970045

IUPAC2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2c([nH]1)CCCC2
InChIInChI=1S/C11H19N3/c1-3-11(2,12)10-13-8-6-4-5-7-9(8)14-10/h3-7,12H2,1-2H3,(H,13,14)
InChIKeyYRTKBPMMXSVVQJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.87
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine

2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine (PubChem CID 102970045) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine
PubChem CID102970045
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)c1nc2c([nH]1)CCCC2
InChIInChI=1S/C11H19N3/c1-3-11(2,12)10-13-8-6-4-5-7-9(8)14-10/h3-7,12H2,1-2H3,(H,13,14)
InChIKeyYRTKBPMMXSVVQJ-UHFFFAOYSA-N
XLogP1.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine
CID 63526067
1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine
CID 66201526
4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethanamine;dihydrochloride
CID 71779243
2-(2-methoxybutan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136963754
1,4,5,6-tetrahydrocyclopenta[d]imidazol-2-amine
CID 39101052
N-methyl-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methanamine
CID 15851824
2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine
CID 79798999
2-[(2S)-2-aminobutan-2-yl]-4-tert-butyl-1H-pyrimidin-6-one
CID 136910509
2-methyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-1-amine
CID 83858442
N'-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propane-1,3-diamine
CID 115019982
1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propan-2-one
CID 83858416
ethyl formate;2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
CID 144858647

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine (CID 102970045) is 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine is CCC(C)(N)c1nc2c([nH]1)CCCC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine?
The InChIKey is YRTKBPMMXSVVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-11(2,12)10-13-8-6-4-5-7-9(8)14-10/h3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine?
2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 102970045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).